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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Mechanistic Pathways for N 2 O Elimination from trans -R 3 Sn-O-N=N-O-SnR 3 and for Reversible Binding of CO 2 to R 3 Sn-O-SnR 3 (R = Ph, Cy)

The rate and mechanism of the elimination of N 2 O from trans-R 3 Sn-O-N=N-O-SnR 3 (R = Ph ( 1 Ph ) and R = Cy ( 1 Cy )) to form R 3 Sn-O-SnR 3 (R = Ph ( 2 Ph ) and R = Cy ( 2 Cy )) have been studied using both NMR and IR techniques to monitor the reactions in the temperature range of 39–79 °C in C 6 D 6 . Activation parameters for this reaction are ΔH ‡ = 15.8 ± 2.0 kcal·mol –1 and ΔS ‡ = –28.5 ± 5 cal·mol –1 ·K –1 for 1 Ph and ΔH ‡ = 22.7 ± 2.5 kcal·mol –1 and ΔS ‡ = –12.4 ± 6 cal·mol –1 ·K –1 for 1 Cy . Addition of O 2 , CO 2 , N 2 O, or PPh 3 to sealed tube NMR experiments did not alter in a detectable way the rate or product distribution of the reactions. Computational DFT studies of elimination of hyponitrite from trans-Me 3 Sn-O-N=N-O-SnMe 3 ( 1 Me ) yield a mechanism involving initial migration of the R 3 Sn group from O to N passing through a marginally stable intermediate product and subsequent N 2 O elimination. Reactions of 1 Ph with protic acids HX are rapid and lead to formation of R 3 SnX and trans-H 2 N 2 O 2 . Reaction of 1 Ph with the metal radical •Cr(CO) 3 C 5 Me 5 at low concentrations results in rapid evolution of N 2 O. At higher •Cr(CO) 3 C 5 Me 5 concentrations, evolution of CO 2 rather than N 2 O is observed. Addition of 1 atm or less CO 2 to benzene or toluene solutions of 2 Ph and 2 Cy resulted in very rapid reaction to form the corresponding carbonates R 3 Sn-O-C(=O)-O-SnR 3 (R = Ph ( 3 Ph ) and R = Cy ( 3 Cy )) at room temperature. Evacuation results in fast loss of bound CO 2 and regeneration of 2 Ph and 2 Cy . Variable temperature data for formation of 3 Cy yield ΔH o = –8.7 ± 0.6 kcal·mol –1 , ΔS o = –17.1 ± 2.0 cal·mol –1 ·K –1 , and ΔG o 298K = –3.6 ± 1.2 kcal·mol –1 . Furthermore, DFT studies were performed and provide additional insight into the energetics and mechanisms for the reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Soil Carbonyl Sulfide (OCS) Fluxes in Terrestrial Ecosystems: An Empirical Model

Measurements of carbonyl sulfide (OCS) enable independent estimates of regional stomatal conductance provided that non-stomatal OCS fluxes are well constrained. OCS is taken up through plant leaves, following the same pathway as CO 2 ; in contrast to CO 2 , OCS is irreversibly destroyed in plant leaves and plants do not typically exhibit OCS emissions. Ecosystem uptake of OCS can indicate changes in stomatal opening. Here we present an empirical model to assess the potential impact of soil OCS exchange, the non-Stomatal OCS exchange Empirical Model (SOCSEM, version 0). We created biome-specific response curves characterizing soil OCS exchange and restricted the model design to require only knowledge of soil moisture and surface temperature because remote sensing observations are available for these two features. Comparing the model to field-based chamber observations reveal deviations that can be attributed to missing complexity of the ground surface (having excluded litter and plants without regulated stomata), shortwave radiation, or the soil environment. For agricultural regions with known net emissions, we use remotely-sensed surface temperature data and demonstrate that data resolution can affect anticipated fluxes. We further investigate the influence of regions with unknown soil OCS responses, for example, Arctic tundra. We compare our model to a process-based and respiration-based soil OCS exchange model that has been implemented in a land surface model. Further field study of tropical and arctic ecosystems in conjunction with studies of non-stomatal surfaces in addition to soil (e.g., bryophytes) will increase confidence in applying OCS as a regional tracer for stomatal conductance.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The Impact of Freeze‐Thaw History on Soil Carbon Response to Experimental Freeze‐Thaw Cycles

Abstract Freeze‐thaw is a disturbance process in cold regions where permafrost soils are becoming vulnerable to temperature fluctuations above 0°C. Freeze‐thaw alters soil physical and biogeochemical properties with implications for carbon persistence and emissions in Arctic landscapes. We examined whether different freeze‐thaw histories in two soil systems led to contrasting biogeochemical responses under a laboratory‐controlled freeze‐thaw incubation. We investigated controls on carbon composition through Fourier‐transform ion cyclotron resonance mass spectrometry (FT‐ICR‐MS) to identify nominal carbon oxidation states and relative abundances of aliphatic‐type carbon molecules in both surface and subsurface soils. Soil cores (∼60 cm‐depth) were sampled from two sites in Alaskan permafrost landscapes with different in situ freeze‐thaw characteristics: Healy (>40 freeze‐thaw cycles annually) and Toolik (<15 freeze‐thaw cycles annually). FT‐ICR‐MS was coupled with in situ temperature data and soil properties (i.e., soil texture, mineralogy) to assess (a) differences in soil organic matter composition associated with previous freeze‐thaw history and (b) sensitivity to experimental freeze‐thaw in the extracted cores. Control (freeze‐only) samples showed greater carbon oxidation in Healy soils compared with Toolik, even in lower mineral horizons where freeze‐thaw history was comparable across both sites. Healy showed the most loss of carbon compounds following experimental freeze‐thaw in the lower mineral depths, including a decrease in aliphatics. Toolik soils responded more slowly to freeze‐thaw as shown by intermediary carbon oxidation distributed across multiple carbon compound classes. Variations in the response of permafrost carbon chemistry to freeze‐thaw is an important factor for predicting changes in soil function as permafrost thaws in high northern latitudes.

Rooney, Erin C.↗
DOE OSTI2023

Steady global surface warming from 1973 to 2022 but increased warming rate after 1990

The change in global mean surface temperature is a crucial and broadly used indicator of the evolution of climate change. Any decadal scale changes in warming rate are however obfuscated by internal variability. Here we show that the surface temperature increase through the recent La Nina influenced years (2022) is consistent with the 50-year trend of 0.18 °C/decade. We use an Earth System Model based tool to filter out modulations to the warming rate by sea-surface temperature patterns and find consistent warming rates in four major global temperature data series. However, we also find clear indications, in all observational series, of a step-up in warming rate since around 1990. CMIP6 models generally do not capture this observed combination of long-term warming rate and recent increase.

58 GEOSCIENCES↗
DOE OSTI2024

Consistent and reproducible computation of the glass transition temperature from molecular dynamics simulations

In many fields, from semiconductors for opto-electronic applications to ionic liquids (ILs) for separations, the glass transition temperature (Tg) of a material is a useful gauge for its potential use in practical settings. As a result, there is a great deal of interest in predicting Tg using molecular simulations. However, the uncertainty and variation in the trend shift method, a common approach in simulations to predict Tg, can be high. This is due to the need for human intervention in defining a fitting range for linear fits of density with temperature assumed for the liquid and glass phases across the simulated cooling. The definition of such fitting ranges then defines the estimate for the Tg as the intersection of linear fits. We eliminate this need for human intervention by leveraging the Shapiro–Wilk normality test and proposing an algorithm to define the fitting ranges and, consequently, Tg. Through this integration, we incorporate into our automated methodology that residuals must be normally distributed around zero for any fit, a requirement that must be met for any regression problem. Consequently, fitting ranges for realizing linear fits for each phase are statistically defined rather than visually inferred, obtaining an estimate for Tg without any human intervention. The method is also capable of finding multiple linear regimes across density vs temperature curves. We compare the predictions of our proposed method across multiple IL and semiconductor molecular dynamics simulation results from the literature and compare other proposed methods for automatically detecting Tg from density–temperature data. We believe that our proposed method would allow for more consistent predictions of Tg. We make this methodology available and open source through GitHub.

Chemistry↗
DOE OSTI2023

Cosmic topology. Part I. Limits on orientable Euclidean manifolds from circle searches

The Einstein field equations of general relativity constrain the local curvature at every point in spacetime, but say nothing about the global topology of the Universe. Cosmic microwave background anisotropies have proven to be the most powerful probe of non-trivial topology since, within ΛCDM, these anisotropies have well-characterized statistical properties, the signal is principally from a thin spherical shell centered on the observer (the last scattering surface), and space-based observations nearly cover the full sky. The most generic signature of cosmic topology in the microwave background is pairs of circles with matching temperature and polarization patterns. No such circle pairs have been seen above noise in the WMAP or Planck temperature data, implying that the shortest non-contractible loop around the Universe through our location is longer than 98.5% of the comoving diameter of the last scattering surface. We translate this generic constraint into limits on the parameters that characterize manifolds with each of the nine possible non-trivial orientable Euclidean topologies, and provide a code which computes these constraints. In all but the simplest cases, the shortest non-contractible loop in the space can avoid us, and be shorter than the diameter of the last scattering surface by a factor ranging from 2 to at least 6. Further, this result implies that a broader range of manifolds is observationally allowed than widely appreciated. Probing these manifolds will require more subtle statistical signatures than matched circles, such as off-diagonal correlations of harmonic coefficients.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Analysis of the inter-species power balance in JET plasmas

Most auxiliary heating methods provide heating to more than one particle species (electrons, ions, impurities) in a fusion plasma. This can lead to substantial temperature differences between species, depending on conditions such as heating power to the different species and collisionality, with temperature differences between species limited by inter-species thermal equipartition and transport. The analysis of the steady-state electron-ion and impurity-ion power balances presented in this paper are used for consistency-checking experimental ion and electron temperature measurements and for inferring the main ion temperature from measured impurity temperatures. As ion temperature measurements by charge exchange spectroscopy (CXS) based on impurity ions have become more difficult and time-consuming since the installation of the ITER-like wall (ILW) with Be and W PFC's, knowing the maximum sustainable temperature difference between ions and electrons, |T i -T e | allows rejecting erroneous measurements. It also obviates the need for an ion temperature measurement, if an electron temperature measurement is available and |T i - T e | cannot be larger than the combined errors of the underlying measurements. A power balance analysis is also required for estimating the errors of the ion and electron heat fluxes prior to any species-resolved transport analysis. The ion-impurity temperature differences are usually found to be small due to strong thermal equipartition between ion species. However, they can approach 10% in JET-ILW low density, high power discharges, such the ones under development for a future JET deuterium–tritium campaign (Joffrin et al 2019 Nucl. Fusion). This has a generally small, but not always negligible effect on the calculation of fusion reaction rates, which depend on main ion temperatures. An important outcome of this analysis is that temperature differences between impurity species are always much smaller than between the impurities and hydrogenic species and can usually be neglected. The article presents two methods for calculating the impurity-to-main ion temperature ratio. Finally, this analysis leads to a method for the reconstruction ion temperature profiles from ion temperature data available at only one or a small number of spatial locations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Effects of Reactive Power on Photovoltaic Inverter Reliability and Lifetime

This paper performs research on predicting Photovoltaic (PV) inverters reliability and lifetime based on thermal cycling. Thermal cycling is considered the most important stressors in an inverter system. In order to achieve this, a detailed electro-thermal model of the PV inverter will be developed along with their controllers capable of providing voltage support through reactive power. An in-house inverter was built, and a PV inverter model was developed to match the physical inverter. The PV inverter electrothermal model was validated for different ambient temperatures to match the in-house inverter hardware. The in-house inverter was placed inside a thermal chamber to emulate different ambient temperatures and their losses and temperature rises within the system were measured. After the validation of the model, a reduced order model of the inverter will be implemented to translate the mission profile of ambient temperature and solar irradiance into load profile of junction temperatures of the switches. The junction temperature data will be used to identify the reliability indices and hence predict the useful lifetime of the inverter system. Along with the model to predict useful lifetime of the system, the impact of reactive power on the overall reliability of the system will be studied. The key observation in this paper shows that lifetime of the inverter decreases as the operating power factor moves away from unity.

14 SOLAR ENERGY↗
DOE OSTI2026

Snow-eater heat waves of the western United States

Abrupt snowmelt, triggered by rain-on-snow events or "snow-eater heat waves," can cause flooding, initiate or accelerate snow drought, and affect water availability. However, the characteristics (e.g., area, duration, and frequency), impacts, and trends of snow-eater heat waves have received little attention. To address this gap, we developed a method to identify snow-eater heat waves and estimate their melt potential using 20th Century Reanalysis version 3 air temperature data, the TempestExtremes algorithm, and an operational snowmelt model (SNOW-17) across 1850-2015. Melt season snow-eater heat waves typically last 3 to 5 days, with three to five events, doubling snowmelt rates. Seven of 11 spring superfloods are shown to coincide with snow-eater heat waves. Since the 1850s, snow-eater heat waves have increased in area and frequency, decreased in duration, and shifted earlier in the melt season. Incorporating snow-eater heat-wave impacts into SNOW-17 enhances extreme melt estimates, improving water management support tools.

Rhoades, Alan M↗
DOE OSTI2022

Three-Dimensional Convective–Stratiform Echo-Type Classification and Convectivity Retrieval from Radar Reflectivity

The Echo Classification from COnvectivity (ECCO) algorithm identifies convective and stratiform types of radar echo in three dimensions. It is based on the calculation of reflectivity texture—a combination of the intensity and the heterogeneity of the radar echoes on each horizontal plane in a 3D Cartesian volume. Reflectivity texture is translated into convectivity, which is designed to be a quantitative measure of the convective nature of each 3D radar grid point. It ranges from 0 (100% stratiform) to 1 (100% convective). By thresholding convectivity, a more traditional qualitative categorization is obtained, which classifies radar echoes as convective, mixed, or stratiform. In contrast to previous algorithms, these echo-type classifications are provided on the full 3D grid of the reflectivity field. The vertically resolved classifications, in combination with temperature data, allow for subclassifications into shallow, mid-, deep, and elevated convective features, and low, mid-, and high stratiform regions—again in three dimensions. The algorithm was validated using datasets collected over the U.S. Great Plains during the PECAN field campaign. An analysis of lightning counts shows ~90% of lightning occurring in regions classified as convective by ECCO. A statistical comparison of ECCO echo types with the well-established GPM radar precipitation-type categories show 84% (88%) of GPM stratiform (convective) echo being classified as stratiform (convective) or mixed by ECCO. ECCO was applied to radar grids for the continental United States, the United Arab Emirates, Australia, and Europe, illustrating its robustness and adaptability to different radar grid characteristics and climatic regions.

Radars/Radar observations↗
DOE OSTI2021

NRC Multiphysics Analysis Capability Deployment (FY2021 - Part 2)

This report details the progress and activities of Idaho National Laboratory (INL) on the Nuclear Regulatory Commission (NRC) project “Development and Modeling Support for Advanced Non-Light Water Reactors.” Task 4b was completed for this report. INL developed a sample problem showing how to use Serpent 2 to calculate macroscopic cross sections for use in Griffin for a typical sodium fast reactor Unprotected Loss of Flow (ULOF) transient. The complicating factor is the relatively large axial gradient of the coolant (and hence fuel) temperature and its evolution during the transient. A 3D Griffin model of the Advanced Burner Test Reactor (ABTR) is coupled to the System Analysis Module (SAM) to perform the ULOF transient. The model includes various explicit feedback mechanisms for fast reactors, including Doppler, radial expansion from the displacement of the support plate, and axial expansion from the displacement of the fuel pins. The results for the ULOF transient are consistent with published values. We observed small effects in the transient results that arise from the superhomogenization equivalence correction of uniform and nonuniform temperature data sets, but they diminish as more dominant reactivity mechanisms are added to the model. Potential improvements to the neutronics model include: adding the differential control rod and sodium feedback mechanisms, implementing cross section re-homogenization based on the partial volume of the various materials, and enhancing the kinetics parameters. Furthermore, the fluids model only includes four subchannels to represent the entire active core due to performance limitations in SAM when attempting to model one subchannel per assembly.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Psychrometric Analysis for New NuMI Evaporator Weather Station

Tritium (H-3) is a weakly radioactive isotope of hydrogen and is a byproduct of accelerator operations at Fermi National Accelerator Laboratory (Fermilab). The Neutrinos at the Main Injector (NuMI) target produced tritiated condensate exhausted via the MI-65 building evaporators. Re-condensation of tritium evaporate was observed on the MI-65 rooftop, on nearby buildings, and on the surrounding grounds due to inefficiency of the existing evaporator system. A new evaporator system is being designed to eliminate re-condensation, and psychrometric data (temperature, humidity and dew point) plays a vital role in determining the location of a weather station to control the new evaporator system.

Alvarado-Anderson, Chase↗
DOE OSTI2024

Bryan Mound Collar Compression Study

This report presents a study of collar compression for the wells at the Bryan Mound site. The study includes a comprehensive review of all available Multi-Arm Caliper (MAC) logs from the site, which has been used to identify specific wells that are experiencing casing restrictions at collar joints. Additional site-wide analysis of Bryan Mound well temperature data, proximity to sulphur wells, pulsed eddy current (PEC) logs, and a general spatial analysis has been included.

02 PETROLEUM↗
DOE OSTI2026

Mechanical Solution for Existing Conductors

The rapid growth in energy demand, driven by advancements in AI technology, renewable energy integration, and increased industrial activity, highlights the need for innovative solutions to improve the resiliency and efficiency of the power grid. This report details the fire testing of GridWrap’s Composite WiRe Wrap, to evaluate the wrap's ability to enhance conductor performance under wildfire-simulated conditions. Conductors were prepared and tested in a controlled environment at 400°C for 18 minutes, during which sag and temperature data were recorded. The results demonstrated that the unwrapped conductor sagged 3/16ths of an inch, while the WiRe Wrapped conductor sagged only 1/16th of an inch under identical conditions, indicating a significant improvement in mechanical performance. This project, conducted as part of a collaborative effort between BEA (Idaho National Laboratory’s managing contractor) and GridWrap, Inc., demonstrates the potential of grid-enhancing technologies like WiRe Wrap to reduce sag, increase grid resiliency, and support the future energy landscape. By validating the performance of such technologies in real-world scenarios, this work provides critical insights for industry adoption, benefiting both grid operators and U.S. taxpayers through improved reliability, reduced emissions, and enhanced energy delivery.

24 - POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Post Access Report: Initial testing of wave energy powered UV-C LED anti-biofouling system

In the experiment entitled “Initial Testing of Wave Energy Powered UV-C LED Anti-Biofouling System,” a UV-C LED was used to treat platinum-coated titanium coupons emulating CTD electrode material. An additional control set of coupons were exposed to seawater without the LED treatment. The experimental setup was deployed in seawater tanks at PNNL-Sequim’s Marine and Coastal Research Laboratory (MCRL) for the duration of six months. Tank seawater temperature data were collected for the duration of the experimental campaign. At two-month intervals triplicate sets of coupons were removed from both treatment and control test chambers and weighed to characterize biomass accumulation. After weighing, the coupons were photographed in initial condition, with a stain applied to highlight biofouling growth, and after rinsing off excess stain. These photographs were analyzed using PNNL’s Biofouling Growth Index (BGI) software and with a calculation of percentage dark pixels after conversion to grayscale. Additionally, at the final 6-month datapoint triplicate sets of control and test coupons were sent to PNNL-Richland’s Environmental Molecular Sciences Laboratory (EMSL) for scanning electron microscopy. All data organization and collection methods are described in further detail in the document “TEAMER_3newable_Data_Guide.pdf.” Biomass accumulation increased over time on both sets of coupons, and percent area biofouled demonstrated a similar trend. Analysis of the collected data resulted in the findings that treatment method has an impact on biofouling growth, though to a much less significant extent than time does. Additionally, qualitative findings included the presence of advanced life forms such as worms in the control test chamber, but not in the treated test chamber.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Presenting a Model to Predict Changing Snow Albedo for Improving Photovoltaic Performance Simulation

As photovoltaic (PV) deployment increases worldwide, PV systems are being installed more frequently in locations that experience snow cover. The higher albedo of snow, relative to the ground, increases the performance of PV systems in northern and high-altitude locations by reflecting more light onto the PV modules. Accurate modeling of the snow’s albedo can improve estimates of PV system production. Typical modeling of snow albedo uses a simple two-value model that sets the albedo high when snow is present, and low when snow is not present. However, snow albedo changes over time as snow settles and melts and a binary model does not account for transitional changes, which can be significant. Here, we present and validate a model for estimating snow albedo as it changes over time. The model is simple enough to only require daily snow depth and hourly average temperature data, but can be improved through the addition of site-specific factors, when available. We validate this model to quantify its ability to more accurately predict snow albedo and compare the model’s performance against satellite imagery-based methods for obtaining historical albedo data. In addition, we perform modeling using the System Advisor Model (SAM) to show the impact of changes in albedo on energy modeling for PV systems. Overall, our albedo model has a significantly improved ability to predict the solar insolation on PV modules in real time, especially on bifacial PV modules where reflected irradiance plays a larger role in energy production.

Pike, Christopher (ORCID:0000000155888033)↗
DOE OSTI2021

Salinity Contributions from Geothermal Waters to the Rio Grande and Shallow Aquifer System in the Transboundary Mesilla (United States)/Conejos-Médanos (Mexico) Basin

Freshwater scarcity has raised concerns about the long-term availability of the water supplies within the transboundary Mesilla (United States)/Conejos-Médanos (Mexico) Basin in Texas, New Mexico, and Chihuahua. Analysis of legacy temperature data and groundwater flux estimates indicates that the region’s known geothermal systems may contribute more than 45,000 tons of dissolved solids per year to the shallow aquifer system, with around 8500 tons of dissolved solids being delivered from localized groundwater upflow zones within those geothermal systems. If this salinity flux is steady and eventually flows into the Rio Grande, it could account for 22% of the typical average annual cumulative Rio Grande salinity that leaves the basin each year—this salinity proportion could be much greater in times of low streamflow. Regional water level mapping indicates upwelling brackish waters flow towards the Rio Grande and the southern part of the Mesilla portion of the basin with some water intercepted by wells in Las Cruces and northern Chihuahua. Upwelling waters ascend from depths greater than 1 km with focused flow along fault zones, uplifted bedrock, and/or fractured igneous intrusions. Overall, this work demonstrates the utility of using heat as a groundwater tracer to identify salinity sources and further informs stakeholders on the presence of several brackish upflow zones that could notably degrade the quality of international water supplies in this developed drought-stricken region.

Pepin, Jeff D. (ORCID:0000000274109979)↗